Geometry & MOs

Info

ID:	147279
PubChem CID:	53786934
Reduced:	SN4O8C27H40 (1)
Stoich.:	AB4C8D27E40 (1)
Weight, g/mol:	249.057198
ΔH_f, kcal/mol:	-365.33
Dipole, Da:	4.23
IP(EA), eV:	-9.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3E)-2-amino-2-methyl-3-(2-sulfanylidene-3H-benzimidazol-5-ylidene)propanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N(C[C@H](CC1(CCCC1)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O)C(=O)O)C(=O)[C@H](CCCCN)N

DOS

IR

Vibrations